General Information of the Compound
| Compound ID |
CP0003077
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| Compound Name |
5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-(4-pyridin-3-ylphenyl)pentanamide
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
O=C(CCCCN1CC2(COC2)C1)Nc1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C21H25N3O2/c25-20(5-1-2-11-24-13-21(14-24)15-26-16-21)23-19-8-6-17(7-9-19)18-4-3-10-22-12-18/h3-4,6-10,12H,1-2,5,11,13-16H2,(H,23,25)
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| InChIKey |
NYOGZFMQQAQVDF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound